2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide

C16H16N4O — CID 76892447

IUPAC2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C16H16N4O/c17-14(16(21)20-12-4-3-7-18-10-12)8-11-9-19-15-6-2-1-5-13(11)15/h1-7,9-10,14,19H,8,17H2,(H,20,21)
InChIKeyGWAFYNMWJZRQEB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide

2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide (PubChem CID 76892447) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
PubChem CID76892447
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C16H16N4O/c17-14(16(21)20-12-4-3-7-18-10-12)8-11-9-19-15-6-2-1-5-13(11)15/h1-7,9-10,14,19H,8,17H2,(H,20,21)
InChIKeyGWAFYNMWJZRQEB-UHFFFAOYSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
CID 22691575
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 22689997
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
CID 110837878
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 154912640
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;pyridine-3-carboxylic acid
CID 18645438
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
CID 104919505
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 110286567
2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
CID 114350844
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide (CID 76892447) is 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide is NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is GWAFYNMWJZRQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-14(16(21)20-12-4-3-7-18-10-12)8-11-9-19-15-6-2-1-5-13(11)15/h1-7,9-10,14,19H,8,17H2,(H,20,21).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 76892447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).